Information card for entry 7700082

Structure parameters

• Formula: C32.5 H26 Cl Cu2 F3 N6 O5 S
• Calculated formula: C32.5 H26 Cl Cu2 F3 N6 O5 S
• Title of publication: A dicopper(i)-dimesoionic carbene complex as a click catalyst: mechanistic implications.
• Authors of publication: Beerhues, Julia; Fauché, Kevin; Cisnetti, Federico; Sarkar, Biprajit; Gautier, Arnaud
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8931 - 8936
• a: 19.1009 ± 0.0015 Å
• b: 18.6389 ± 0.0013 Å
• c: 20.5642 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7321.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No